2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole]

C19H23N3O — CID 15176165

IUPAC2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole]
SMILESCn1cc(C2=NCC3(CCN4CCCC3C4)O2)c2ccccc21
InChIInChI=1S/C19H23N3O/c1-21-12-16(15-6-2-3-7-17(15)21)18-20-13-19(23-18)8-10-22-9-4-5-14(19)11-22/h2-3,6-7,12,14H,4-5,8-11,13H2,1H3
InChIKeyFSAPAZYAWGKWEB-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.81
Rot. Bonds1

About 2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole]

2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole] (PubChem CID 15176165) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole].

Molecular Properties

Compound Name2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole]
PubChem CID15176165
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole]
SMILESCn1cc(C2=NCC3(CCN4CCCC3C4)O2)c2ccccc21
InChIInChI=1S/C19H23N3O/c1-21-12-16(15-6-2-3-7-17(15)21)18-20-13-19(23-18)8-10-22-9-4-5-14(19)11-22/h2-3,6-7,12,14H,4-5,8-11,13H2,1H3
InChIKeyFSAPAZYAWGKWEB-UHFFFAOYSA-N
XLogP2.81
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole]?
The IUPAC name of 2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole] (CID 15176165) is 2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole].
What is the SMILES notation for 2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole]?
The canonical SMILES for 2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole] is Cn1cc(C2=NCC3(CCN4CCCC3C4)O2)c2ccccc21.
What is the InChIKey of 2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole]?
The InChIKey is FSAPAZYAWGKWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21-12-16(15-6-2-3-7-17(15)21)18-20-13-19(23-18)8-10-22-9-4-5-14(19)11-22/h2-3,6-7,12,14H,4-5,8-11,13H2,1H3.
What are the key properties of 2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole]?
2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole] has a molecular weight of 309.41 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole] is sourced from PubChem (CID 15176165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).